ALA4796476Name:
2-(3-(2-(trifluoromethyl)benzamido)phenyl)acetic acidMol. Formula:
C16H12F3NO3M.W.:
323.27Type:
UnknownAlogP:
3.58Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS
ALA4795261Name:
5-(trifluoromethoxy)-2-(4-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C16H9F6NO4SM.W.:
425.31Type:
UnknownAlogP:
5.15Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
1#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.51DETAILS
Type:
UnknownAlogP:
3.66Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS
ALA4788471Name:
5-(4-(trifluoromethylthio)benzamido)pyridazine-4-carboxylic acidMol. Formula:
C13H8F3N3O3SM.W.:
343.29Type:
UnknownAlogP:
3.04Polar Surface Area:
92.18HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.83DETAILS
ALA4787355Name:
N-(5,6,7,8-Tetrahydro-2-naphthalenyl)-2-(1H-tetrazol-5-yl)benzamideMol. Formula:
C18H17N5OM.W.:
319.37Type:
UnknownAlogP:
3.00Polar Surface Area:
83.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS-
Type:
UnknownAlogP:
3.66Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS - ALA4786127
Name:
2-(2-(2-(trifluoromethyl)benzamido)phenyl)acetic acidMol. Formula:
C16H12F3NO3M.W.:
323.27Type:
UnknownAlogP:
3.58Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4784090
Name:
5-nitro-2-(4-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C15H9F3N2O5SM.W.:
386.31Type:
UnknownAlogP:
4.16Polar Surface Area:
109.54HBA:
5HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.45DETAILS - ALA4780579
Name:
4-chloro-2-(4-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C15H9ClF3NO3SM.W.:
375.75Type:
UnknownAlogP:
4.90Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4778307
Name:
5-fluoro-2-(4-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C15H9F4NO3SM.W.:
359.30Type:
UnknownAlogP:
4.39Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.63DETAILS - ALA4776182
Name:
2-(2-(3-(trifluoromethyl)benzamido)phenyl)acetic acidMol. Formula:
C16H12F3NO3M.W.:
323.27Type:
UnknownAlogP:
3.58Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4776102
Name:
5-chloro-2-(4-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C15H9ClF3NO3SM.W.:
375.75Type:
UnknownAlogP:
4.90Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.75DETAILS - ALA4764421
Name:
2-(3-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C15H10F3NO3SM.W.:
341.31Type:
UnknownAlogP:
4.25Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.82DETAILS - ALA4762826
Name:
2-(2-(4-(trifluoromethyl)benzamido)phenyl)acetic acidMol. Formula:
C16H12F3NO3M.W.:
323.27Type:
UnknownAlogP:
3.58Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.90DETAILS - ALA4761929
Name:
N-[2-(1H-Tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydro-2-naphthalenecarboxamideMol. Formula:
C18H17N5OM.W.:
319.37Type:
UnknownAlogP:
3.00Polar Surface Area:
83.56HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.78DETAILS - ALA4759642
Name:
5-bromo-2-(4-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C15H9BrF3NO3SM.W.:
420.21Type:
UnknownAlogP:
5.01Polar Surface Area:
66.40HBA:
3HBD:
2#RO5 Violations:
1#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.68DETAILS - ALA4758530
Name:
4-methoxy-2-(4-(trifluoromethylthio)benzamido)benzoic acidMol. Formula:
C16H12F3NO4SM.W.:
371.34Type:
UnknownAlogP:
4.26Polar Surface Area:
75.63HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
5Passes Ro3:
NQED Weighted:
0.77DETAILS -
Type:
UnknownAlogP:
3.66Polar Surface Area:
66.40HBA:
2HBD:
2#RO5 Violations:
---#Rotatable Bonds:
3Passes Ro3:
NQED Weighted:
0.91DETAILS -
Type:
UnknownAlogP:
4.93Polar Surface Area:
66.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.74DETAILS - ALA4750436
Name:
2-(4-(trifluoromethylthio)benzamido)thiophene-3-carboxylic acidMol. Formula:
C13H8F3NO3S2M.W.:
347.34Type:
UnknownAlogP:
4.31Polar Surface Area:
66.40HBA:
4HBD:
2#RO5 Violations:
---#Rotatable Bonds:
4Passes Ro3:
NQED Weighted:
0.81DETAILS
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